19F-NMR studies of the impact of different detergents and nanodiscs on the A2A adenosine receptor

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19F-NMR studies of the impact of different detergents and nanodiscs on the A2A adenosine receptor

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

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Amber

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Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

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TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

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RCI

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HADDOCK

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SAVES2 or SAVES4

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FANDAS

MestReS

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Backbone S2

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B-factor

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CH3shift- Methyl

ArShift- Aromatic

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Proshift

PPM

CheShift-2- Cα

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Shifty

Camcoil

Poulsen_rc_CS

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MAXOCC

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CCPN

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DisMeta

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Isotope labeling:

Solid-state NMR:

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12-11-2023, 11:33 PM

nmrlearner

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19F-NMR studies of the impact of different detergents and nanodiscs on the A2A adenosine receptor

19F-NMR studies of the impact of different detergents and nanodiscs on the A2A adenosine receptor

Abstract

For the A2A adenosine receptor (A2AAR), a class A G-protein-coupled receptor (GPCR), reconstituted in n-dodecyl-Î²-D-maltoside (DDM)/â??â??â??â??â??cholesteryl hemisuccinate (CHS) mixed micelles, previous 19F-NMR studies revealed the presence of multiple simultaneously populated conformational states. Here, we study the influence of a different detergent, lauryl maltose neopentyl glycol (LMNG) in mixed micelles with CHS, and of lipid bilayer nanodiscs on these conformational equilibria. The populations of locally different substates are pronouncedly different in DDM/â??â??â??â??â??CHS and LMNG/â??â??â??â??â??CHS micelles, whereas the A2AAR conformational manifold in LMNG/â??â??â??â??â??CHS micelles is closely similar to that in the lipid bilayer nanodiscs. Considering that nanodiscs represent a closer match of the natural lipid bilayer membrane, these observations support that LMNG/â??â??â??â??â??CHS micelles are a good choice for reconstitution trials of class A GPCRs for NMR studies in solution.

Source: Journal of Biomolecular NMR

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